3a-Methyl-4,7-hexahydroepoxybenzo(c)thiophene-1,3-dione (3a-alpha,4-beta,7-beta,7a-alpha)-

Base Information

• Chemical Name: 3a-Methyl-4,7-hexahydroepoxybenzo(c)thiophene-1,3-dione (3a-alpha,4-beta,7-beta,7a-alpha)-
• CAS No.: 127311-83-5
• Molecular Formula: C9H10 O3 S
• Molecular Weight: 198.25
• DSSTox Substance ID: DTXSID20925847
• Wikidata: Q76279636
• Mol file: 127311-83-5.mol

Synonyms:3a-Methyl-4,7-hexahydroepoxybenzo(c)thiophene-1,3-dione (3a-alpha,4-beta,7-beta,7a-alpha)-;4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a-methyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-;127311-83-5;SCHEMBL3496510;DTXSID20925847;LS-64036;3a-Methylhexahydro-4,7-epoxy-2-benzothiophene-1,3-dione

Chemical Property of 3a-Methyl-4,7-hexahydroepoxybenzo(c)thiophene-1,3-dione (3a-alpha,4-beta,7-beta,7a-alpha)-

Chemical Property:

• Vapor Pressure: 0.00594mmHg at 25°C
• Boiling Point: 272.8°C at 760 mmHg
• Flash Point: 126.7°C
• Density: 1.439g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 198.03506535
• Heavy Atom Count: 13
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3CCC(C1C(=O)SC2=O)O3
• Isomeric SMILES: C[C@]12[C@@H]3CC[C@H]([C@H]1C(=O)SC2=O)O3